2-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]ethanoic acid

Systemtic Name: 2-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]ethanoic acid Openeye Name: 2-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]acetic acid CAS Name: 2-[[(7S)-7-acetamido-1,2-dimethoxy-10-(methylthio)-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]acetic acid IUPAC Name: 2-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]acetic acid Traditional Name: 2-[[(7S)-7-acetamido-9-keto-1,2-dimethoxy-10-(methylthio)-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]acetic acid Formula: C23H25NO7S MolecularWeight: 459.5121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OCC(=O)O

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OCC(=O)O

InChI

InChI=1S/C23H25NO7S/c1-12(25)24-16-7-5-13-9-18(31-11-20(27)28)22(29-2)23(30-3)21(13)14-6-8-19(32-4)17(26)10-15(14)16/h6,8-10,16H,5,7,11H2,1-4H3,(H,24,25)(H,27,28)/t16-/m0/s1